(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione

C21H24O2 — CID 25047353

IUPAC(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione
SMILESCC1(C)CC(=O)C2(CC3=C(/C=C\C4=C(/C=C\3)CCC4)C2)C(=O)C1
InChIInChI=1S/C21H24O2/c1-20(2)12-18(22)21(19(23)13-20)10-16-8-6-14-4-3-5-15(14)7-9-17(16)11-21/h6-9H,3-5,10-13H2,1-2H3/b8-6-,9-7-,14-6-,15-7-,16-8-,17-9-
InChIKeyCNHHFYGLFFJHRL-CAUKFGLTSA-N
MW308.42 g/mol
LogP4.63
Rot. Bonds

About (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione

(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione (PubChem CID 25047353) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione.

Molecular Properties

Compound Name(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione
PubChem CID25047353
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione
SMILESCC1(C)CC(=O)C2(CC3=C(/C=C\C4=C(/C=C\3)CCC4)C2)C(=O)C1
InChIInChI=1S/C21H24O2/c1-20(2)12-18(22)21(19(23)13-20)10-16-8-6-14-4-3-5-15(14)7-9-17(16)11-21/h6-9H,3-5,10-13H2,1-2H3/b8-6-,9-7-,14-6-,15-7-,16-8-,17-9-
InChIKeyCNHHFYGLFFJHRL-CAUKFGLTSA-N
XLogP4.63
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione with MolForge

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Related Compounds

2-Methyl-2-(4-methylpent-3-enyl)cyclohexane-1,3-dione
CID 14705361
5,5-Dimethyl-2-[(9z)-octadec-9-enoyl]cyclo-hexane-1,3-dione
CID 15211975
5,5-Dimethyl-2-[(9z,12z,15z)-octadeca-9,12,15-trienoyl]cyclohexane-1,3-dione
CID 25159228
2-(4-Methylpent-3-enyl)-2-(3-oxobutyl)cyclohexane-1,3-dione
CID 102296144
3,3-Dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione
CID 102347416
2-[(3aS,6aS)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]-2,5,5-trimethylcyclohexane-1,3-dione
CID 134929847
(4S)-4-ethyl-6-methylidenespiro[1,2,3,4-tetrahydropentalene-5,2'-cyclohexane]-1',3'-dione
CID 178251573
(1S)-1-ethyl-5'-methyl-3-methylidenespiro[4,5,6,7-tetrahydro-1H-indene-2,2'-cyclohexane]-1',3'-dione
CID 178251580
(1S)-1-ethyl-5',5'-dimethyl-3-methylidenespiro[4,5,6,7-tetrahydro-1H-indene-2,2'-cyclohexane]-1',3'-dione
CID 178251581
2-Cyclohexa-1,3-dien-1-yl-5,5-dimethylcyclohexane-1,3-dione
CID 612391
2,2-Bis(3-methylbut-2-enyl)cyclohexane-1,3-dione
CID 15618510
Spiro[4.5]dec-2-ene-6,10-dione, 8,8-dimethyl-
CID 10899472

Frequently Asked Questions

What is the IUPAC name of (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione?
The IUPAC name of (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione (CID 25047353) is (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione.
What is the SMILES notation for (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione?
The canonical SMILES for (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione is CC1(C)CC(=O)C2(CC3=C(/C=C\C4=C(/C=C\3)CCC4)C2)C(=O)C1.
What is the InChIKey of (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione?
The InChIKey is CNHHFYGLFFJHRL-CAUKFGLTSA-N. The full InChI is InChI=1S/C21H24O2/c1-20(2)12-18(22)21(19(23)13-20)10-16-8-6-14-4-3-5-15(14)7-9-17(16)11-21/h6-9H,3-5,10-13H2,1-2H3/b8-6-,9-7-,14-6-,15-7-,16-8-,17-9-.
What are the key properties of (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione?
(2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione has a molecular weight of 308.42 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'Z,9'Z)-5,5-dimethylspiro[cyclohexane-2,6'-tricyclo[9.3.0.04,8]tetradeca-1(11),2,4(8),9-tetraene]-1,3-dione is sourced from PubChem (CID 25047353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).